methyl 3-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-11-24-19(26)16-9-4-5-10-17(16)23-21(24)29-13-18(25)22-15-8-6-7-14(12-15)20(27)28-2/h4-10,12H,3,11,13H2,1-2H3,(H,22,25)